1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol

C21H28N2O3 — CID 53180201

IUPAC1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(OC)c(C(O)CN2CCN(c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-16-4-6-17(7-5-16)23-12-10-22(11-13-23)15-20(24)19-14-18(25-2)8-9-21(19)26-3/h4-9,14,20,24H,10-13,15H2,1-3H3
InChIKeyUSALYRYXTVYVFZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.87
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol

1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol (PubChem CID 53180201) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
PubChem CID53180201
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(OC)c(C(O)CN2CCN(c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H28N2O3/c1-16-4-6-17(7-5-16)23-12-10-22(11-13-23)15-20(24)19-14-18(25-2)8-9-21(19)26-3/h4-9,14,20,24H,10-13,15H2,1-3H3
InChIKeyUSALYRYXTVYVFZ-UHFFFAOYSA-N
XLogP2.87
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
(1S)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 51595920
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 46968065
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
[4-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 46956925
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
CID 56780884

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol (CID 53180201) is 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol is COc1ccc(OC)c(C(O)CN2CCN(c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
The InChIKey is USALYRYXTVYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-4-6-17(7-5-16)23-12-10-22(11-13-23)15-20(24)19-14-18(25-2)8-9-21(19)26-3/h4-9,14,20,24H,10-13,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol?
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol has a molecular weight of 356.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 53180201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).